Geometry & MOs

Info

ID:	286544
PubChem CID:	104170975
Reduced:	ClION2C7H10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	342.02291
ΔH_f, kcal/mol:	6.76
Dipole, Da:	2.73
IP(EA), eV:	-9.27(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-iodophenyl)-1-(2-methoxypropyl)pyrazole

Drug info:

PubChemData

Smile

CC(CN1C=C(C(=N1)I)Cl)OC

DOS

IR

Vibrations